N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-chloro-benzothiophene-2-carboxamide Formula: C19H17BrClNO3S MolecularWeight: 454.76518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br)OC

InChI

InChI=1S/C19H17BrClNO3S/c1-24-14-9-11(13(20)10-15(14)25-2)7-8-22-19(23)18-17(21)12-5-3-4-6-16(12)26-18/h3-6,9-10H,7-8H2,1-2H3,(H,22,23)